SCHEMBL29664709

SCHEMBL29664709

CNc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
APP P05067 2/20 0.48
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP2A6 P11509 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4078295 1.00 PLAU (0.51) PLAUF2PLGKLKB1PRSS1
SCHEMBL29489119 0.80 CYP2A6 (0.54) PLAUF2PLGKLKB1PRSS1
SCHEMBL8156941 0.80 EGFR (0.48) APPMEN1NPC1KMT2ACYP2A6
SCHEMBL1344485 0.80 CYP2A6 (0.54) PLAUF2PLGKLKB1PRSS1
SCHEMBL360149 0.78 LOXL2 (0.54) APPMEN1RAB9AKMT2AABCB1
SCHEMBL7344351 0.78 PLAU (0.61) PLAUF2PLGKLKB1PRSS1
Hydrochloric Acid SCHEMBL27473265 0.76 ALDH1A1 (0.54) APPABCB1ABCG2CYP2A6LOXL2
SCHEMBL16366949 0.76 PLAU (0.48) PLAUF2PLGKLKB1PRSS1
SCHEMBL13074509 0.75 CYP2A6 (0.50) PLAUF2PLGKLKB1PRSS1
SCHEMBL361389 0.75 MAPT (0.53) MEN1NPC1RAB9AKMT2AABCG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114544571-B Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2023-04-18 CN claimed
CN-114544571-B Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2023-04-18 CN disclosed
CN-114544571-A Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2022-05-27 CN disclosed